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88041-44-5 | Phenol, 2-(aminomethyl)-4-(1,1-dimethylethyl)-6-(methylsulfinyl)-
CAS No: 88041-44-5 Catalog No: AG004J4X MDL No:
Product Description
Catalog Number:
AG004J4X
Chemical Name:
Phenol, 2-(aminomethyl)-4-(1,1-dimethylethyl)-6-(methylsulfinyl)-
CAS Number:
88041-44-5
Molecular Formula:
C12H19NO2S
Molecular Weight:
241.3498
IUPAC Name:
2-(aminomethyl)-4-tert-butyl-6-methylsulfinylphenol
InChI:
InChI=1S/C12H19NO2S/c1-12(2,3)9-5-8(7-13)11(14)10(6-9)16(4)15/h5-6,14H,7,13H2,1-4H3
InChI Key:
NCSSEYPESIEJQP-UHFFFAOYSA-N
SMILES:
NCc1cc(cc(c1O)S(=O)C)C(C)(C)C
Properties
Complexity:
262
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
241.114g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
241.349g/mol
Monoisotopic Mass:
241.114g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
82.5A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
1.8
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